N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide

C15H15NO4S — CID 86940495

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide
SMILESCSc1ccc(C(=O)NCC2COc3ccccc3O2)o1
InChIInChI=1S/C15H15NO4S/c1-21-14-7-6-13(20-14)15(17)16-8-10-9-18-11-4-2-3-5-12(11)19-10/h2-7,10H,8-9H2,1H3,(H,16,17)
InChIKeyHILPQXNHHSTXDQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.57
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide (PubChem CID 86940495) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide
PubChem CID86940495
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide
SMILESCSc1ccc(C(=O)NCC2COc3ccccc3O2)o1
InChIInChI=1S/C15H15NO4S/c1-21-14-7-6-13(20-14)15(17)16-8-10-9-18-11-4-2-3-5-12(11)19-10/h2-7,10H,8-9H2,1H3,(H,16,17)
InChIKeyHILPQXNHHSTXDQ-UHFFFAOYSA-N
XLogP2.57
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 4827251
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-ethylphenyl)acetamide
CID 100583739
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
2-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 17419339
2-(4-bromophenyl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 8872759
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluoro-4-methylbenzamide
CID 17459252
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-propan-2-ylsulfanylbenzamide
CID 95245321
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-propan-2-ylsulfanylbenzamide
CID 95245322

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide (CID 86940495) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide is CSc1ccc(C(=O)NCC2COc3ccccc3O2)o1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide?
The InChIKey is HILPQXNHHSTXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-21-14-7-6-13(20-14)15(17)16-8-10-9-18-11-4-2-3-5-12(11)19-10/h2-7,10H,8-9H2,1H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide is sourced from PubChem (CID 86940495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).